N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide

C16H18N4O2 — CID 651707

IUPACN-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
InChIInChI=1S/C16H18N4O2/c1-2-3-6-15(21)20-14-8-7-13(11-18-14)19-16(22)12-5-4-9-17-10-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVOYWEJBMBPOLPO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.86
Rot. Bonds6

About N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide

N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 651707) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID651707
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
InChIInChI=1S/C16H18N4O2/c1-2-3-6-15(21)20-14-8-7-13(11-18-14)19-16(22)12-5-4-9-17-10-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVOYWEJBMBPOLPO-UHFFFAOYSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 651707) is N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide is CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1.
What is the InChIKey of N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is VOYWEJBMBPOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-3-6-15(21)20-14-8-7-13(11-18-14)19-16(22)12-5-4-9-17-10-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide?
N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentanoylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 651707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).